2-[[2-azanyl-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[[2-azanyl-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[[2-amino-3-(benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[2-amino-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[[2-amino-3-(1-benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[2-amino-3-(benzothiophen-3-yl)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C27H24FN5OS MolecularWeight: 485.575763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC(CC2=CSC3=CC=CC=C32)N)C4=CC=NC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC(CC2=CSC3=CC=CC=C32)N)C4=CC=NC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN5OS/c1-33-26(34)24(17-6-8-20(28)9-7-17)25(18-10-12-30-13-11-18)32-27(33)31-15-21(29)14-19-16-35-23-5-3-2-4-22(19)23/h2-13,16,21H,14-15,29H2,1H3,(H,31,32)